General Information of the Compound
Compound ID
CP0380514
Compound Name
N-cyclohexyl-N-methyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide
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Structure
Formula
C22H25N5O
Molecular Weight
375.476
Canonical SMILES
CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
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InChI
InChI=1S/C22H25N5O/c1-26(20-10-6-3-7-11-20)22(28)27-24-21(23-25-27)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
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InChIKey
LLRSVFMJVIEWCG-UHFFFAOYSA-N
Physicochemical Property
logP
4.1635
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
63.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 72197094
ChEMBL ID
CHEMBL2376842
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01782, Monoglyceride lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 601.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
EC50 = 150 nM
   TI
   LI
   LO
   TS
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 150 nM
   TI
   LI
   LO
   TS
2
IC50 = 15400 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 250 nM
   TI
   LI
   LO
   TS
2
IC50 = 9200 nM
   TI
   LI
   LO
   TS